4-N,4-N-dimethyl-1-N-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine

C12H18N4 — CID 90644726

IUPAC4-N,4-N-dimethyl-1-N-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine
SMILESCC1CN=C(Nc2ccc(N(C)C)cc2)N1
InChIInChI=1S/C12H18N4/c1-9-8-13-12(14-9)15-10-4-6-11(7-5-10)16(2)3/h4-7,9H,8H2,1-3H3,(H2,13,14,15)
InChIKeySTRPFZXGLKNUAX-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.51
Rot. Bonds2

About 4-N,4-N-dimethyl-1-N-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine

4-N,4-N-dimethyl-1-N-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine (PubChem CID 90644726) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-1-N-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-1-N-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine
PubChem CID90644726
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name4-N,4-N-dimethyl-1-N-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine
SMILESCC1CN=C(Nc2ccc(N(C)C)cc2)N1
InChIInChI=1S/C12H18N4/c1-9-8-13-12(14-9)15-10-4-6-11(7-5-10)16(2)3/h4-7,9H,8H2,1-3H3,(H2,13,14,15)
InChIKeySTRPFZXGLKNUAX-UHFFFAOYSA-N
XLogP1.51
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-methyl-N-phenyl-4,5-dihydro-1H-imidazol-2-amine
CID 57292286
5-methyl-N-(3-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 126982467
4-N,4-N-dimethyl-1-N-(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)benzene-1,4-diamine
CID 65036001
(5-methyl-4,5-dihydro-1H-imidazol-2-yl)hydrazine;hydroiodide
CID 21417143
1-N-chloro-4-N,4-N-dimethylbenzene-1,4-diamine
CID 89056981
3,5-dichloro-N-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)pyridin-2-amine
CID 44523106
5-methyl-N-[[3-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]phenyl]methyl]-4,5-dihydro-1H-imidazol-2-amine
CID 120972179
N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]cyclopropanecarboxamide
CID 113049573
3-bromo-4-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]benzamide
CID 174258294
4-N,4-N-dimethyl-1-N-[(6S)-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]benzene-1,4-diamine
CID 703082
5-[4-(dimethylamino)anilino]-6-methyl-2H-1,2,4-triazine-3-thione
CID 23412304
4-N,4-N-dimethyl-1-N-(piperidin-4-ylmethyl)benzene-1,4-diamine
CID 79708402

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-1-N-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine?
The IUPAC name of 4-N,4-N-dimethyl-1-N-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine (CID 90644726) is 4-N,4-N-dimethyl-1-N-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-1-N-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-1-N-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine is CC1CN=C(Nc2ccc(N(C)C)cc2)N1.
What is the InChIKey of 4-N,4-N-dimethyl-1-N-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine?
The InChIKey is STRPFZXGLKNUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-9-8-13-12(14-9)15-10-4-6-11(7-5-10)16(2)3/h4-7,9H,8H2,1-3H3,(H2,13,14,15).
What are the key properties of 4-N,4-N-dimethyl-1-N-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine?
4-N,4-N-dimethyl-1-N-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine has a molecular weight of 218.30 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-1-N-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine is sourced from PubChem (CID 90644726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).